4-methyl-11-oxo-N-(2-pyrrolidin-1-ylethyl)pyrido[2,1-b]quinazoline-6-carboxamide

C20H22N4O2 — CID 162763930

IUPAC4-methyl-11-oxo-N-(2-pyrrolidin-1-ylethyl)pyrido[2,1-b]quinazoline-6-carboxamide
SMILESCc1cccc2c(=O)n3cccc(C(=O)NCCN4CCCC4)c3nc12
InChIInChI=1S/C20H22N4O2/c1-14-6-4-7-15-17(14)22-18-16(8-5-12-24(18)20(15)26)19(25)21-9-13-23-10-2-3-11-23/h4-8,12H,2-3,9-11,13H2,1H3,(H,21,25)
InChIKeyIYLUDYLMALFFMF-UHFFFAOYSA-N
MW350.42 g/mol
LogP1.98
Rot. Bonds4

About 4-methyl-11-oxo-N-(2-pyrrolidin-1-ylethyl)pyrido[2,1-b]quinazoline-6-carboxamide

4-methyl-11-oxo-N-(2-pyrrolidin-1-ylethyl)pyrido[2,1-b]quinazoline-6-carboxamide (PubChem CID 162763930) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 4-methyl-11-oxo-N-(2-pyrrolidin-1-ylethyl)pyrido[2,1-b]quinazoline-6-carboxamide.

Molecular Properties

Compound Name4-methyl-11-oxo-N-(2-pyrrolidin-1-ylethyl)pyrido[2,1-b]quinazoline-6-carboxamide
PubChem CID162763930
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name4-methyl-11-oxo-N-(2-pyrrolidin-1-ylethyl)pyrido[2,1-b]quinazoline-6-carboxamide
SMILESCc1cccc2c(=O)n3cccc(C(=O)NCCN4CCCC4)c3nc12
InChIInChI=1S/C20H22N4O2/c1-14-6-4-7-15-17(14)22-18-16(8-5-12-24(18)20(15)26)19(25)21-9-13-23-10-2-3-11-23/h4-8,12H,2-3,9-11,13H2,1H3,(H,21,25)
InChIKeyIYLUDYLMALFFMF-UHFFFAOYSA-N
XLogP1.98
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-11-oxo-N-(2-pyrrolidin-1-ylethyl)pyrido[2,1-b]quinazoline-6-carboxamide?
The IUPAC name of 4-methyl-11-oxo-N-(2-pyrrolidin-1-ylethyl)pyrido[2,1-b]quinazoline-6-carboxamide (CID 162763930) is 4-methyl-11-oxo-N-(2-pyrrolidin-1-ylethyl)pyrido[2,1-b]quinazoline-6-carboxamide.
What is the SMILES notation for 4-methyl-11-oxo-N-(2-pyrrolidin-1-ylethyl)pyrido[2,1-b]quinazoline-6-carboxamide?
The canonical SMILES for 4-methyl-11-oxo-N-(2-pyrrolidin-1-ylethyl)pyrido[2,1-b]quinazoline-6-carboxamide is Cc1cccc2c(=O)n3cccc(C(=O)NCCN4CCCC4)c3nc12.
What is the InChIKey of 4-methyl-11-oxo-N-(2-pyrrolidin-1-ylethyl)pyrido[2,1-b]quinazoline-6-carboxamide?
The InChIKey is IYLUDYLMALFFMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-14-6-4-7-15-17(14)22-18-16(8-5-12-24(18)20(15)26)19(25)21-9-13-23-10-2-3-11-23/h4-8,12H,2-3,9-11,13H2,1H3,(H,21,25).
What are the key properties of 4-methyl-11-oxo-N-(2-pyrrolidin-1-ylethyl)pyrido[2,1-b]quinazoline-6-carboxamide?
4-methyl-11-oxo-N-(2-pyrrolidin-1-ylethyl)pyrido[2,1-b]quinazoline-6-carboxamide has a molecular weight of 350.42 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-11-oxo-N-(2-pyrrolidin-1-ylethyl)pyrido[2,1-b]quinazoline-6-carboxamide is sourced from PubChem (CID 162763930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).